1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(ethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt

Base Information

• Chemical Name: 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(ethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt
• CAS No.: 25778-91-0
• Molecular Formula: C36H36 N12 O18 S6 . 6 Na
• Molecular Weight: 1255.09
• European Community (EC) Number: 811-487-1
• Mol file: 25778-91-0.mol

Synonyms:25778-91-0;1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(ethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt;1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(ethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6);hexasodium;2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate

Chemical Property of 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(ethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt

Chemical Property:

• PSA: 562.38000
• LogP: 4.50580
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 14
• Exact Mass: 1247.9511449
• Heavy Atom Count: 78
• Complexity: 2290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Isomeric SMILES: CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

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